Pr5Np2O12
Alexandria ALEXAlex-ID: agm005682803 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_320_spg12
Pr6NpO12 Pr2O3 NpO2
2023-06-26 02:20:59.058756
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005682803).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005682803
data_agm005682803
_cell_length_a 6.43233
_cell_length_b 7.29237
_cell_length_c 7.84340
_cell_angle_alpha 105.67013
_cell_angle_beta 90.00000
_cell_angle_gamma 116.16970
_cell_volume 314.88798
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pr1 Pr 0.29921 0.59841 0.63436 1.00000
Pr2 Pr 0.30605 0.61210 0.17621 1.00000
Pr3 Pr 0.00000 0.00000 0.50000 1.00000
Pr4 Pr 0.69395 0.38790 0.82379 1.00000
Pr5 Pr 0.70079 0.40159 0.36564 1.00000
Np1 Np 0.75614 1.00000 1.00000 1.00000
Np2 Np 0.24386 0.00000 0.00000 1.00000
O1 O 0.00042 0.00084 0.19611 1.00000
O2 O 0.10023 0.66505 0.91425 1.00000
O3 O 0.56482 0.66505 0.91425 1.00000
O4 O 0.09511 0.68819 0.42473 1.00000
O5 O 0.59308 0.68819 0.42473 1.00000
O6 O 0.50167 0.00334 0.80981 1.00000
O7 O 0.49833 0.99666 0.19019 1.00000
O8 O 0.90489 0.31181 0.57527 1.00000
O9 O 0.40692 0.31181 0.57527 1.00000
O10 O 0.89977 0.33495 0.08575 1.00000
O11 O 0.43518 0.33495 0.08575 1.00000
O12 O 0.99958 0.99916 0.80389 1.00000
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